N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile

C134H119F3N18O10 — CID 159180951

About N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 159180951) has the molecular formula C134H119F3N18O10 and a molecular weight of 2198.54 g/mol. Its IUPAC name is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
• PubChem CID: 159180951
• Molecular Formula: C134H119F3N18O10
• Molecular Weight: 2198.54 g/mol
• Exact Mass: 2196.93
• IUPAC Name: N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
• SMILES: CCC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC(=O)C3CC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC(C)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C24H21N3O2.C24H23N3O2.C23H21N3O2.C22H18F3N3.C22H19N3O2.C19H17N3O2/c1-3-27-22(21(15-25)20-11-10-19(29-2)14-23(20)27)12-7-16-5-4-6-18(13-16)26-24(28)17-8-9-17;1-5-27-22(21(15-25)20-11-10-19(29-4)14-23(20)27)12-9-17-7-6-8-18(13-17)26-24(28)16(2)3;1-4-23(27)25-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(28-3)14-22(19)26(21)5-2;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-4-25-21(11-8-16-6-5-7-17(12-16)24-15(2)26)20(14-23)19-10-9-18(27-3)13-22(19)25;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13/h4-6,10-11,13-14,17H,3,8-9H2,1-2H3,(H,26,28);6-8,10-11,13-14,16H,5H2,1-4H3,(H,26,28);6-8,10-11,13-14H,4-5H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3;5-7,9-10,12-13H,4H2,1-3H3,(H,24,26);4-11H,3H2,1-2H3,(H,21,23)
• InChIKey: KMWPCFZGEQTQGJ-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 367.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.54
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?

The IUPAC name of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile (CID 159180951) is N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile.

What is the SMILES notation for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?

The canonical SMILES for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile is CCC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC(=O)C3CC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(NC(C)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?

The InChIKey is KMWPCFZGEQTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2.C24H23N3O2.C23H21N3O2.C22H18F3N3.C22H19N3O2.C19H17N3O2/c1-3-27-22(21(15-25)20-11-10-19(29-2)14-23(20)27)12-7-16-5-4-6-18(13-16)26-24(28)17-8-9-17;1-5-27-22(21(15-25)20-11-10-19(29-4)14-23(20)27)12-9-17-7-6-8-18(13-17)26-24(28)16(2)3;1-4-23(27)25-17-8-6-7-16(13-17)9-12-21-20(15-24)19-11-10-18(28-3)14-22(19)26(21)5-2;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-4-25-21(11-8-16-6-5-7-17(12-16)24-15(2)26)20(14-23)19-10-9-18(27-3)13-22(19)25;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13/h4-6,10-11,13-14,17H,3,8-9H2,1-2H3,(H,26,28);6-8,10-11,13-14,16H,5H2,1-4H3,(H,26,28);6-8,10-11,13-14H,4-5H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3;5-7,9-10,12-13H,4H2,1-3H3,(H,24,26);4-11H,3H2,1-2H3,(H,21,23).

What are the key properties of N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2198.54 g/mol, XLogP of 25.83, 21 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 159180951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).